Chemical Properties of Pyrene, 1,2,3,3a,4,5-hexahydro- (CAS 5385-37-5)

InChI

InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1,3-4,7,9,14H,2,5-6,8,10H2

InChI Key

AEFBNJXWRHSZGO-UHFFFAOYSA-N

Formula

C16H16

SMILES

c1cc2c3c4c(ccc3c1)CCCC4CC2

Molecular Weight¹

208.30

CAS

5385-37-5

Other Names

• 1,2,3,3a,4,5-Hexahydropyrene
• 1,2,3,9,10,10a-Hexahydropyrene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.16; 547.81]	J/mol×K	[644.23; 892.20]
Cp,gas	458.16	J/mol×K	644.23	Joback Calculated Property
Cp,gas	475.98	J/mol×K	685.56	Joback Calculated Property
Cp,gas	492.39	J/mol×K	726.89	Joback Calculated Property
Cp,gas	507.60	J/mol×K	768.22	Joback Calculated Property
Cp,gas	521.78	J/mol×K	809.55	Joback Calculated Property
Cp,gas	535.12	J/mol×K	850.88	Joback Calculated Property
Cp,gas	547.81	J/mol×K	892.20	Joback Calculated Property
η	[0.0013641; 0.0023809]	Pa×s	[406.88; 644.23]
η	0.0023809	Pa×s	406.88	Joback Calculated Property
η	0.0020824	Pa×s	446.44	Joback Calculated Property
η	0.0018615	Pa×s	486.00	Joback Calculated Property
η	0.0016923	Pa×s	525.56	Joback Calculated Property
η	0.0015592	Pa×s	565.11	Joback Calculated Property
η	0.0014521	Pa×s	604.67	Joback Calculated Property
η	0.0013641	Pa×s	644.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pyrene, 1,2,3,3a,4,5-hexahydro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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